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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1 (S1P1)' and Ligand = 'BDBM123455'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1 (S1P1)


(Homo sapiens (Human))
BDBM123455
PNG
(US8741923, 12)
Show SMILES CC1CCCCN1c1ccc(cc1C#N)-c1nc(no1)-c1ccc2CCNCc2c1
Show InChI InChI=1S/C24H25N5O/c1-16-4-2-3-11-29(16)22-8-7-19(13-20(22)14-25)24-27-23(28-30-24)18-6-5-17-9-10-26-15-21(17)12-18/h5-8,12-13,16,26H,2-4,9-11,15H2,1H3
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US Patent
0.800n/an/an/an/an/an/an/an/a



Merck Serono SA

US Patent


Assay Description
Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells we...


US Patent US8741923 (2014)

More data for this
Ligand-Target Pair